#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joq n GLY 2 N 0.00 0.57 3.70 1.08 0.00 -1.26 -5.05 105.19 104.23 2joq n GLY 2 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 2joq n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2joq s HIS 3 N 0.00 2.68 -0.41 1.61 3.76 -1.26 -4.98 115.29 116.69 2joq s HIS 3 Ca 0.00 0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 55.27 2joq s HIS 3 Cb 0.00 -3.92 0.05 0.00 1.11 0.00 0.00 32.58 29.82 2joq s HIS 3 CO 0.00 -3.57 0.26 -1.64 -0.85 0.00 0.00 174.74 168.93 2joq s MET 4 N 2.11 2.78 0.57 1.40 1.00 -1.26 -4.94 119.30 120.97 2joq s MET 4 Ca 0.72 -1.24 0.26 0.00 0.00 0.00 0.00 55.69 55.43 2joq s MET 4 Cb -0.40 -3.82 1.62 0.00 0.00 0.00 0.00 34.83 32.22 2joq s MET 4 CO 0.31 -0.83 2.15 -1.35 0.00 0.00 0.00 175.02 175.31 2joq h PRO 5 N 8.49 0.00 -3.57 2.03 0.11 -2.05 -3.27 132.00 133.74 2joq h PRO 5 Ca -0.25 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.18 2joq h PRO 5 Cb 1.10 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.84 2joq h PRO 5 CO 0.73 0.00 -0.43 -1.54 -0.21 0.00 0.00 178.00 176.55 2joq s SER 6 N -6.19 5.02 0.62 -2.05 1.04 -1.26 -5.09 113.70 105.79 2joq s SER 6 Ca -0.05 -2.88 -0.18 0.00 0.48 0.00 0.00 55.95 53.32 2joq s SER 6 Cb 0.16 -1.80 -0.02 0.00 0.10 0.00 0.00 66.02 64.45 2joq s SER 6 CO 0.59 -0.34 1.22 1.51 0.98 0.00 0.00 173.24 177.20 2joq s ASP 7 N 0.47 4.97 -0.19 7.02 1.47 -1.24 -5.01 116.67 124.17 2joq s ASP 7 Ca 0.17 2.41 -0.13 0.00 1.18 0.00 0.00 52.55 56.18 2joq s ASP 7 Cb -0.21 -2.60 -0.05 0.00 -0.34 0.00 0.00 42.92 39.72 2joq s ASP 7 CO -0.03 -1.74 0.26 -0.94 0.68 0.00 0.00 175.17 173.40 2joq s SER 8 N -1.65 6.34 0.41 2.11 1.04 -1.26 -5.08 113.70 115.60 2joq s SER 8 Ca 0.78 0.39 0.03 0.00 0.48 0.00 0.00 55.95 57.63 2joq s SER 8 Cb -0.31 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 2joq s SER 8 CO 0.36 0.07 0.08 -1.59 0.98 0.00 0.00 173.24 173.14 2joq s LYS 9 N 0.73 1.91 -0.12 4.02 -2.85 -1.26 -5.15 119.74 117.01 2joq s LYS 9 Ca 0.14 -2.15 0.01 0.00 -1.00 0.00 0.00 55.97 52.97 2joq s LYS 9 Cb -0.13 -0.91 -0.01 0.00 -2.06 0.00 0.00 37.83 34.72 2joq s LYS 9 CO 0.04 -0.36 -0.16 0.15 0.10 0.00 0.00 175.35 175.12 2joq s LYS 10 N -3.79 3.28 0.26 1.78 -0.14 -1.26 -5.10 119.74 114.76 2joq s LYS 10 Ca 0.24 -0.73 -0.31 0.00 -1.36 0.00 0.00 55.97 53.81 2joq s LYS 10 Cb 0.04 -2.54 -0.12 0.00 -1.68 0.00 0.00 37.83 33.53 2joq s LYS 10 CO 0.13 0.22 1.62 -2.30 -0.76 0.00 0.00 175.35 174.26 2joq n PRO 11 N 3.48 2.64 -2.53 -1.68 -0.02 -1.26 -4.93 135.00 130.71 2joq n PRO 11 Ca -0.18 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 2joq n PRO 11 Cb 0.53 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 2joq n PRO 11 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2joq s THR 12 N 0.40 4.16 -0.10 3.45 2.01 -1.26 -5.00 115.64 119.29 2joq s THR 12 Ca 0.69 1.21 -0.21 0.00 0.31 0.00 0.00 61.69 63.68 2joq s THR 12 Cb -0.52 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.51 2joq s THR 12 CO 0.43 -0.84 0.62 -0.63 -0.69 0.00 0.00 174.62 173.50 2joq s ILE 13 N 4.61 5.09 0.08 1.82 -1.09 -1.26 -5.04 121.20 125.41 2joq s ILE 13 Ca 0.52 1.25 -0.30 0.00 -2.23 0.00 0.00 60.65 59.88 2joq s ILE 13 Cb -0.10 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 2joq s ILE 13 CO 0.29 0.26 1.01 -0.63 -1.23 0.00 0.00 174.94 174.64 2joq s ILE 14 N 0.87 4.47 -0.05 2.92 1.09 -1.26 -5.05 121.20 124.19 2joq s ILE 14 Ca 0.33 1.95 0.02 0.00 -1.10 0.00 0.00 60.65 61.84 2joq s ILE 14 Cb -0.17 -4.24 0.02 0.00 -1.06 0.00 0.00 42.46 37.01 2joq s ILE 14 CO 0.14 0.25 -0.08 -0.31 -0.10 0.00 0.00 174.94 174.85 2joq s TYR 15 N 0.35 1.03 0.59 3.97 2.02 -1.26 -3.67 117.35 120.38 2joq s TYR 15 Ca 0.50 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.71 2joq s TYR 15 Cb -0.24 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 2joq s TYR 15 CO 0.30 -0.23 1.04 -2.14 -1.57 0.00 0.00 175.55 172.95 2joq s PRO 16 N 0.82 3.42 0.12 -1.71 0.02 -1.24 -4.97 135.00 131.47 2joq s PRO 16 Ca -0.12 1.08 -0.25 0.00 0.02 0.00 0.00 61.00 61.73 2joq s PRO 16 Cb -0.15 -2.05 0.08 0.00 0.02 0.00 0.00 34.50 32.40 2joq s PRO 16 CO 0.01 -0.72 1.10 0.00 -0.33 0.00 0.00 177.00 177.07 2joq s LEU 18 N -3.38 4.43 -0.08 0.00 1.43 -1.26 -0.15 118.68 119.67 2joq s LEU 18 Ca 0.21 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 2joq s LEU 18 Cb -0.01 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 43.10 2joq s LEU 18 CO 0.03 0.03 -0.16 0.86 0.23 0.00 0.00 176.35 177.34 2joq s TRP 19 N -0.03 1.84 -0.27 0.29 -0.11 -0.67 -4.92 118.94 115.07 2joq s TRP 19 Ca 0.36 -0.72 -0.21 0.00 1.22 0.00 0.00 56.10 56.75 2joq s TRP 19 Cb -0.19 -1.29 -0.01 0.00 -1.50 0.00 0.00 33.47 30.47 2joq s TRP 19 CO 0.21 -0.33 0.65 -0.51 -4.62 0.00 0.00 176.95 172.35 2joq s ASP 20 N 0.57 6.57 -0.02 5.86 1.01 -1.26 -2.54 116.67 126.86 2joq s ASP 20 Ca -0.16 0.64 -0.05 0.00 0.71 0.00 0.00 52.55 53.69 2joq s ASP 20 Cb -0.17 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2joq s ASP 20 CO 0.05 -0.43 0.21 -0.31 0.21 0.00 0.00 175.17 174.90 2joq s TYR 21 N 2.59 3.57 -0.30 4.23 1.51 0.15 -4.22 117.35 124.87 2joq s TYR 21 Ca 0.27 0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 56.73 2joq s TYR 21 Cb -0.15 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2joq s TYR 21 CO 0.10 0.65 0.07 0.50 -1.11 0.00 0.00 175.55 175.76 2joq s ARG 22 N -1.74 2.94 -0.34 -0.62 6.06 -0.39 -0.54 118.95 124.31 2joq s ARG 22 Ca 0.26 -0.96 -0.04 0.00 -2.50 0.00 0.00 55.73 52.49 2joq s ARG 22 Cb -0.13 -3.36 0.06 0.00 0.06 0.00 0.00 34.95 31.58 2joq s ARG 22 CO 0.16 -0.50 0.08 0.08 -2.50 0.00 0.00 175.30 172.62 2joq s VAL 23 N 1.46 3.35 -0.48 7.11 1.01 0.23 -0.74 120.40 132.34 2joq s VAL 23 Ca 0.01 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 2joq s VAL 23 Cb -0.18 -2.99 0.06 0.00 0.00 0.00 0.00 36.38 33.28 2joq s VAL 23 CO 0.02 -0.25 0.48 -0.63 0.00 0.00 0.00 175.10 174.71 2joq s ILE 24 N 1.29 5.10 0.42 2.22 1.01 -0.25 -0.40 121.20 130.59 2joq s ILE 24 Ca -0.01 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.88 2joq s ILE 24 Cb -0.20 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 2joq s ILE 24 CO -0.00 -0.65 0.37 -0.04 0.00 0.00 0.00 174.94 174.62 2joq s MET 25 N 2.01 2.50 -0.05 2.79 -1.94 -0.35 -1.03 119.30 123.23 2joq s MET 25 Ca 0.08 -1.57 0.20 0.00 -1.71 0.00 0.00 55.69 52.69 2joq s MET 25 Cb -0.22 -2.35 0.66 0.00 2.01 0.00 0.00 34.83 34.93 2joq s MET 25 CO 0.09 -0.21 1.57 0.25 -0.01 0.00 0.00 175.02 176.70 2joq n THR 26 N -1.55 1.38 -3.84 2.05 -2.24 -0.01 -0.05 114.28 110.02 2joq n THR 26 Ca 0.03 -1.10 -0.10 0.00 -2.27 0.00 0.00 64.05 60.62 2joq n THR 26 Cb 0.62 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 2joq n THR 26 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2joq s THR 27 N -1.39 0.06 -2.55 4.28 -1.32 -1.26 -4.82 115.64 108.64 2joq s THR 27 Ca 0.49 -1.07 0.23 0.00 -1.21 0.00 0.00 61.69 60.13 2joq s THR 27 Cb 0.28 -1.62 0.40 0.00 -1.51 0.00 0.00 72.50 70.05 2joq s THR 27 CO 0.28 -0.28 1.40 0.29 -2.21 0.00 0.00 174.62 174.10 2joq n LYS 28 N -0.24 2.44 -2.53 7.08 5.02 -1.26 -4.73 118.16 123.94 2joq n LYS 28 Ca -0.10 -2.16 -0.42 0.00 -2.02 0.00 0.00 58.31 53.61 2joq n LYS 28 Cb 0.63 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2joq n LYS 28 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2joq n ASP 29 N 1.40 4.79 -4.34 4.39 2.03 -1.26 -4.90 116.55 118.66 2joq n ASP 29 Ca 0.18 -2.90 -0.45 0.00 0.52 0.00 0.00 54.79 52.14 2joq n ASP 29 Cb 0.59 -1.75 -0.05 0.00 -0.72 0.00 0.00 41.12 39.19 2joq n ASP 29 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2joq s THR 30 N 4.69 5.08 0.10 5.18 -1.32 -1.26 -4.80 115.64 123.31 2joq s THR 30 Ca 0.55 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 2joq s THR 30 Cb 0.04 -4.37 0.00 0.00 -1.51 0.00 0.00 72.50 66.66 2joq s THR 30 CO 0.08 -0.93 0.00 -0.24 -2.21 0.00 0.00 174.62 171.32 2joq n SER 31 N 5.61 0.42 -0.30 8.08 2.88 -1.26 -4.67 113.62 124.39 2joq n SER 31 Ca -0.12 0.16 0.20 0.00 -1.33 0.00 0.00 58.87 57.77 2joq n SER 31 Cb 0.41 -0.06 0.48 0.00 -0.75 0.00 0.00 64.21 64.30 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2joq h THR 32 N 0.00 0.62 -0.71 2.46 2.02 -1.99 0.17 112.91 115.47 2joq h THR 32 Ca 0.00 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2joq h THR 32 Cb 0.00 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.48 2joq h THR 32 CO 0.00 0.08 0.44 0.25 0.37 0.00 0.00 175.52 176.66 2joq h LEU 33 N 0.46 0.71 -0.12 2.58 5.85 -1.92 -1.27 115.31 121.59 2joq h LEU 33 Ca 0.54 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 59.03 2joq h LEU 33 Cb 1.28 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 42.18 2joq h LEU 33 CO -0.26 0.48 -0.95 0.11 -0.34 0.00 0.00 178.44 177.49 2joq h LYS 34 N 0.84 0.58 -0.50 1.25 1.57 -1.02 -3.24 116.57 116.04 2joq h LYS 34 Ca 0.29 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 2joq h LYS 34 Cb 0.06 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2joq h LYS 34 CO -0.13 1.20 0.28 0.93 -0.57 0.00 0.00 179.45 181.17 2joq h GLU 35 N 0.34 0.70 -0.05 3.15 5.08 -0.67 -0.65 114.58 122.48 2joq h GLU 35 Ca -0.09 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2joq h GLU 35 Cb 1.58 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 2joq h GLU 35 CO 0.18 0.55 -0.07 1.37 -1.00 0.00 0.00 179.01 180.03 2joq h LEU 36 N 0.67 0.06 -0.28 1.33 8.10 -1.34 -1.21 115.31 122.65 2joq h LEU 36 Ca 0.18 -0.01 -0.11 0.00 0.11 0.00 0.00 57.88 58.05 2joq h LEU 36 Cb 0.05 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.25 2joq h LEU 36 CO -0.03 0.14 -0.25 -0.07 -4.11 0.00 0.00 178.44 174.12 2joq h LEU 37 N 0.07 0.70 -1.85 0.17 3.38 -1.31 -3.18 115.31 113.29 2joq h LEU 37 Ca 0.02 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2joq h LEU 37 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2joq h LEU 37 CO 0.01 1.02 0.09 -0.33 0.09 0.00 0.00 178.44 179.32 2joq h GLU 38 N 0.39 0.19 -0.05 1.13 5.08 0.04 -1.98 114.58 119.38 2joq h GLU 38 Ca 0.05 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2joq h GLU 38 Cb 0.81 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2joq h GLU 38 CO 0.06 0.13 0.04 1.79 -1.00 0.00 0.00 179.01 180.03 2joq h THR 39 N 0.19 0.78 -0.00 1.13 1.35 -1.39 0.18 112.91 115.16 2joq h THR 39 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 2joq h THR 39 Cb -0.02 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2joq h THR 39 CO -0.01 0.00 -0.01 -1.22 -0.25 0.00 0.00 175.52 174.03 2joq n TYR 40 N -4.23 0.00 -1.75 4.73 4.02 -0.74 -4.89 117.16 114.29 2joq n TYR 40 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.66 2joq n TYR 40 Cb 0.14 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.18 2joq n TYR 40 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2joq n GLN 41 N -1.18 -1.50 -4.37 -0.72 1.13 0.64 -4.96 117.38 106.41 2joq n GLN 41 Ca 0.17 1.19 -0.27 0.00 -1.94 0.00 0.00 57.00 56.14 2joq n GLN 41 Cb 0.21 -5.62 -0.12 0.00 0.11 0.00 0.00 30.24 24.81 2joq n GLN 41 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2joq s ARG 42 N -4.00 1.37 0.60 -1.09 1.70 -1.26 -5.11 118.95 111.16 2joq s ARG 42 Ca 0.00 -1.36 -0.19 0.00 -0.47 0.00 0.00 55.73 53.71 2joq s ARG 42 Cb 0.00 -1.75 -0.03 0.00 -0.57 0.00 0.00 34.95 32.60 2joq s ARG 42 CO 0.00 0.40 1.22 -1.25 -1.08 0.00 0.00 175.30 174.59 2joq s PRO 43 N -2.24 2.90 0.12 3.89 0.04 -1.26 -4.74 135.00 133.71 2joq s PRO 43 Ca 0.14 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2joq s PRO 43 Cb -0.09 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2joq s PRO 43 CO 0.07 -1.27 0.01 -0.59 0.04 0.00 0.00 177.00 175.25 2joq s PHE 44 N -1.59 0.87 -0.23 0.56 -0.12 -1.26 -3.73 117.98 112.48 2joq s PHE 44 Ca 0.78 -1.10 0.01 0.00 -0.05 0.00 0.00 56.93 56.57 2joq s PHE 44 Cb -0.31 -0.51 0.04 0.00 -0.63 0.00 0.00 43.02 41.60 2joq s PHE 44 CO 0.34 -0.36 -0.12 0.21 -0.05 0.00 0.00 175.22 175.24 2joq s LYS 45 N -3.96 2.63 -0.42 1.99 2.36 0.17 -4.96 119.74 117.55 2joq s LYS 45 Ca 0.18 -1.09 -0.12 0.00 -2.55 0.00 0.00 55.97 52.39 2joq s LYS 45 Cb 0.07 -2.82 0.06 0.00 -1.05 0.00 0.00 37.83 34.08 2joq s LYS 45 CO -0.01 -0.42 0.29 -1.17 1.55 0.00 0.00 175.35 175.59 2joq s LEU 46 N 1.22 5.16 -0.08 5.43 1.98 -1.26 -1.96 118.68 129.17 2joq s LEU 46 Ca -0.02 -1.24 0.05 0.00 -2.89 0.00 0.00 54.13 50.02 2joq s LEU 46 Cb -0.17 -2.07 -0.00 0.00 0.66 0.00 0.00 46.19 44.60 2joq s LEU 46 CO -0.07 -0.52 -0.24 -1.61 -1.89 0.00 0.00 176.35 172.02 2joq s GLU 47 N 1.55 2.74 -0.31 1.98 0.41 -0.65 -5.03 118.70 119.39 2joq s GLU 47 Ca 0.03 -0.86 -0.15 0.00 -0.41 0.00 0.00 54.97 53.58 2joq s GLU 47 Cb -0.22 -2.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.94 2joq s GLU 47 CO 0.06 0.25 0.37 0.12 -0.49 0.00 0.00 175.26 175.57 2joq s PHE 48 N 0.15 3.22 0.00 1.61 5.36 -1.26 -0.47 117.98 126.58 2joq s PHE 48 Ca -0.12 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2joq s PHE 48 Cb -0.16 -2.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.87 2joq s PHE 48 CO 0.06 -0.36 0.22 1.63 -1.46 0.00 0.00 175.22 175.32 2joq n LYS 49 N 5.39 0.00 -3.61 10.12 4.76 0.16 -4.98 118.16 130.00 2joq n LYS 49 Ca -0.09 0.45 -0.02 0.00 -2.87 0.00 0.00 58.31 55.79 2joq n LYS 49 Cb 0.50 -1.07 -0.01 0.00 -1.84 0.00 0.00 35.03 32.61 2joq n LYS 49 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2joq s ASN 50 N -2.62 -0.11 0.07 4.39 2.20 -1.20 -5.03 114.94 112.64 2joq s ASN 50 Ca 0.00 -0.09 -0.09 0.00 -0.94 0.00 0.00 52.86 51.75 2joq s ASN 50 Cb 0.00 0.18 -0.06 0.00 -2.00 0.00 0.00 41.25 39.38 2joq s ASN 50 CO 0.00 -0.32 0.37 0.28 -2.94 0.00 0.00 177.10 174.50 2joq s THR 51 N -2.50 5.14 0.92 0.54 -1.32 -1.26 -1.21 115.64 115.94 2joq s THR 51 Ca 0.12 0.36 -0.11 0.00 -1.21 0.00 0.00 61.69 60.85 2joq s THR 51 Cb 0.02 -3.63 0.14 0.00 -1.51 0.00 0.00 72.50 67.52 2joq s THR 51 CO -0.04 0.28 1.11 -0.55 -2.21 0.00 0.00 174.62 173.21 2joq s SER 52 N -1.80 3.08 0.37 8.08 0.15 0.28 -4.87 113.70 119.00 2joq s SER 52 Ca 0.33 1.90 0.10 0.00 0.70 0.00 0.00 55.95 58.98 2joq s SER 52 Cb -0.14 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.45 2joq s SER 52 CO 0.18 -2.95 1.86 0.50 1.20 0.00 0.00 173.24 174.03 2joq h LYS 53 N -1.76 0.14 0.00 5.44 3.64 -1.99 0.12 116.57 122.17 2joq h LYS 53 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2joq h LYS 53 Cb 1.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2joq h LYS 53 CO 0.47 0.39 0.00 0.27 -2.27 0.00 0.00 179.45 178.31 2joq n ASN 54 N -4.19 0.25 -0.04 4.20 0.23 -1.26 -4.88 115.26 109.57 2joq n ASN 54 Ca -0.01 0.54 -0.00 0.00 -0.53 0.00 0.00 54.58 54.57 2joq n ASN 54 Cb 0.34 -0.60 -0.00 0.00 -2.08 0.00 0.00 39.78 37.43 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2joq n ALA 55 N -1.60 -0.01 0.03 -2.53 0.00 0.43 -4.81 120.51 112.03 2joq n ALA 55 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 2joq n ALA 55 Cb 0.28 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 2joq n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2joq h LYS 56 N 0.26 0.00 -5.04 0.00 1.63 -1.90 -3.45 116.57 108.06 2joq h LYS 56 Ca -0.01 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.12 2joq h LYS 56 Cb 0.74 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.03 2joq h LYS 56 CO 0.01 0.45 -0.84 -0.06 -3.45 0.00 0.00 179.45 175.57 2joq s PHE 57 N -2.81 2.83 -0.21 1.91 0.08 -1.26 -4.23 117.98 114.28 2joq s PHE 57 Ca -0.02 -1.59 -0.08 0.00 0.12 0.00 0.00 56.93 55.36 2joq s PHE 57 Cb 0.08 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2joq s PHE 57 CO 0.81 -0.78 0.08 0.71 -0.10 0.00 0.00 175.22 175.94 2joq s TYR 58 N 1.31 3.20 -0.28 0.36 2.02 0.92 -0.56 117.35 124.31 2joq s TYR 58 Ca 0.04 -0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 2joq s TYR 58 Cb -0.14 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 2joq s TYR 58 CO -0.11 -0.03 0.40 0.45 -1.57 0.00 0.00 175.55 174.69 2joq s SER 59 N 0.90 6.27 0.19 2.29 0.15 -0.35 -1.21 113.70 121.93 2joq s SER 59 Ca 0.04 0.23 0.08 0.00 0.70 0.00 0.00 55.95 57.00 2joq s SER 59 Cb -0.14 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2joq s SER 59 CO 0.03 -0.24 -0.01 -0.36 1.20 0.00 0.00 173.24 173.85 2joq s PHE 60 N 2.12 2.79 -0.08 3.44 0.08 0.47 -0.67 117.98 126.14 2joq s PHE 60 Ca 0.16 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.04 2joq s PHE 60 Cb -0.16 -1.34 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2joq s PHE 60 CO 0.10 0.53 -0.03 1.21 -0.10 0.00 0.00 175.22 176.93 2joq s ASN 61 N -3.03 1.65 -0.16 1.36 2.47 0.38 -0.60 114.94 117.00 2joq s ASN 61 Ca 0.28 -0.15 0.01 0.00 0.42 0.00 0.00 52.86 53.41 2joq s ASN 61 Cb -0.09 -0.56 0.02 0.00 -1.45 0.00 0.00 41.25 39.18 2joq s ASN 61 CO 0.18 -0.15 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.57 2joq s VAL 62 N 1.71 1.75 -0.10 -5.21 1.01 0.29 -1.64 120.40 118.21 2joq s VAL 62 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2joq s VAL 62 Cb -0.13 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2joq s VAL 62 CO -0.05 0.46 -0.14 -0.94 0.00 0.00 0.00 175.10 174.43 2joq s SER 63 N 1.41 3.97 0.13 3.32 1.04 -0.83 0.32 113.70 123.07 2joq s SER 63 Ca 0.04 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 2joq s SER 63 Cb -0.13 -1.31 -0.03 0.00 0.10 0.00 0.00 66.02 64.64 2joq s SER 63 CO -0.11 0.23 0.13 0.00 0.98 0.00 0.00 173.24 174.46 2joq s MET 64 N -0.05 0.97 -0.22 4.02 0.23 -1.05 0.43 119.30 123.63 2joq s MET 64 Ca -0.03 -1.32 -0.29 0.00 -1.03 0.00 0.00 55.69 53.02 2joq s MET 64 Cb -0.14 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.42 2joq s MET 64 CO 0.04 -0.30 1.56 -1.21 -2.03 0.00 0.00 175.02 173.07 2joq s GLU 65 N -4.01 3.87 -0.22 3.16 2.02 -1.24 -1.67 118.70 120.61 2joq s GLU 65 Ca 0.20 1.64 -0.12 0.00 0.02 0.00 0.00 54.97 56.71 2joq s GLU 65 Cb 0.06 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.25 2joq s GLU 65 CO -0.00 -1.20 0.23 0.14 0.02 0.00 0.00 175.26 174.44 2joq s VAL 66 N 4.90 5.32 0.12 2.63 -7.23 0.79 -4.91 120.40 122.02 2joq s VAL 66 Ca 0.68 0.34 -0.07 0.00 -1.81 0.00 0.00 61.98 61.13 2joq s VAL 66 Cb -0.24 -3.56 -0.19 0.00 0.56 0.00 0.00 36.38 32.94 2joq s VAL 66 CO 0.27 0.34 1.27 0.28 -0.31 0.00 0.00 175.10 176.96 2joq h SER 67 N 7.28 0.63 -5.28 4.85 0.02 -1.94 -2.15 113.55 116.96 2joq h SER 67 Ca -0.38 -0.50 0.11 0.00 -0.84 0.00 0.00 61.79 60.17 2joq h SER 67 Cb 1.16 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2joq h SER 67 CO 0.69 1.30 0.48 0.54 -1.14 0.00 0.00 176.83 178.71 2joq s ASN 68 N -7.13 -0.00 0.19 3.07 4.22 -1.26 -3.59 114.94 110.44 2joq s ASN 68 Ca -0.07 -0.82 -0.12 0.00 -2.14 0.00 0.00 52.86 49.72 2joq s ASN 68 Cb 0.08 0.61 0.15 0.00 1.28 0.00 0.00 41.25 43.38 2joq s ASN 68 CO 0.88 -1.21 1.82 -0.08 -2.04 0.00 0.00 177.10 176.46 2joq h GLU 69 N 2.00 0.65 -0.69 3.55 4.81 -2.01 -1.39 114.58 121.51 2joq h GLU 69 Ca -0.29 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 2joq h GLU 69 Cb 1.23 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 2joq h GLU 69 CO 0.37 0.43 0.45 0.77 -0.73 0.00 0.00 179.01 180.31 2joq h SER 70 N 0.67 0.60 0.04 1.04 0.02 -2.00 -2.30 113.55 111.63 2joq h SER 70 Ca 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2joq h SER 70 Cb 0.07 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2joq h SER 70 CO -0.12 0.39 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.61 2joq h GLU 71 N 0.68 -0.05 -0.12 3.45 4.39 -1.66 -1.74 114.58 119.53 2joq h GLU 71 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2joq h GLU 71 Cb 0.30 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2joq h GLU 71 CO -0.10 0.18 0.08 0.07 -1.16 0.00 0.00 179.01 178.08 2joq h ARG 72 N -0.27 0.14 0.51 2.33 0.11 -1.18 0.79 114.38 116.81 2joq h ARG 72 Ca -0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 2joq h ARG 72 Cb 0.25 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.30 2joq h ARG 72 CO 0.01 0.09 -0.25 -0.91 0.10 0.00 0.00 179.97 179.02 2joq h ASN 73 N 0.15 -0.58 -0.19 0.08 2.35 -1.23 -2.02 115.58 114.13 2joq h ASN 73 Ca 0.04 -0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2joq h ASN 73 Cb 0.00 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 2joq h ASN 73 CO -0.01 -0.22 -0.08 -0.08 -1.65 0.00 0.00 177.43 175.39 2joq h GLU 74 N -1.00 -0.06 -0.75 0.81 4.81 -0.53 -0.92 114.58 116.95 2joq h GLU 74 Ca -0.07 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2joq h GLU 74 Cb 0.61 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 2joq h GLU 74 CO 0.12 -0.04 0.44 0.82 -0.73 0.00 0.00 179.01 179.61 2joq h ILE 75 N -0.06 0.99 -0.86 2.32 2.04 -0.95 0.14 117.51 121.13 2joq h ILE 75 Ca 0.10 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.73 2joq h ILE 75 Cb 0.21 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2joq h ILE 75 CO -0.23 0.15 0.55 0.15 0.00 0.00 0.00 178.15 178.76 2joq h PHE 76 N 0.80 1.03 -0.48 1.37 3.57 -0.59 -1.67 116.94 120.97 2joq h PHE 76 Ca 0.33 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 2joq h PHE 76 Cb 0.19 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2joq h PHE 76 CO -0.06 0.58 -0.19 1.96 -2.23 0.00 0.00 178.31 178.37 2joq h GLN 77 N 1.06 0.96 -0.84 1.11 4.20 0.21 -2.95 115.11 118.86 2joq h GLN 77 Ca 0.35 -0.39 0.04 0.00 0.06 0.00 0.00 58.65 58.70 2joq h GLN 77 Cb 0.03 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 2joq h GLN 77 CO -0.12 1.06 0.54 0.87 -0.67 0.00 0.00 178.83 180.50 2joq h LYS 78 N 0.84 1.00 -0.10 1.46 1.79 -0.13 -2.58 116.57 118.84 2joq h LYS 78 Ca 0.11 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2joq h LYS 78 Cb 0.76 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2joq h LYS 78 CO 0.06 0.66 0.07 0.82 -1.08 0.00 0.00 179.45 179.98 2joq h ILE 79 N 1.03 1.01 0.00 1.86 2.04 -1.14 -1.32 117.51 120.99 2joq h ILE 79 Ca 0.34 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.16 2joq h ILE 79 Cb 0.04 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2joq h ILE 79 CO -0.13 0.02 -0.04 -1.54 0.00 0.00 0.00 178.15 176.47 2joq n SER 80 N -4.52 0.06 0.00 1.72 3.41 -0.97 -3.70 113.62 109.61 2joq n SER 80 Ca -0.01 0.45 0.03 0.00 -0.26 0.00 0.00 58.87 59.07 2joq n SER 80 Cb 0.10 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 63.79 2joq n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2joq n GLN 81 N -1.52 0.91 0.10 4.33 6.02 -0.50 -3.07 117.38 123.65 2joq n GLN 81 Ca 0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2joq n GLN 81 Cb 0.34 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.46 2joq n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2joq h LEU 82 N 0.00 0.00 0.00 1.08 3.38 -1.76 -3.47 115.31 114.53 2joq h LEU 82 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2joq h LEU 82 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2joq h LEU 82 CO 0.00 0.62 0.00 -0.67 0.09 0.00 0.00 178.44 178.48 2joq n ASP 83 N -3.16 0.00 0.00 -0.43 2.03 -1.17 -4.58 116.55 109.23 2joq n ASP 83 Ca -0.02 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.32 2joq n ASP 83 Cb 0.80 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.34 2joq n ASP 83 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2joq n LYS 84 N 0.00 0.75 -4.44 -0.67 2.85 -1.26 -4.65 118.16 110.75 2joq n LYS 84 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 2joq n LYS 84 Cb 0.00 -1.10 -0.12 0.00 -0.65 0.00 0.00 35.03 33.16 2joq n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2joq s VAL 85 N -2.00 3.87 -0.22 0.58 0.11 -1.26 -0.83 120.40 120.64 2joq s VAL 85 Ca 0.07 -0.37 0.09 0.00 -2.93 0.00 0.00 61.98 58.83 2joq s VAL 85 Cb 0.03 -2.68 -0.21 0.00 -1.53 0.00 0.00 36.38 32.00 2joq s VAL 85 CO 0.05 0.51 -0.04 1.33 -3.33 0.00 0.00 175.10 173.63 2joq n VAL 86 N 3.28 1.47 -3.80 2.04 0.24 -0.19 -4.98 118.33 116.38 2joq n VAL 86 Ca -0.18 -0.70 -0.14 0.00 -2.04 0.00 0.00 64.34 61.28 2joq n VAL 86 Cb 0.53 -1.02 -0.15 0.00 -1.47 0.00 0.00 33.84 31.72 2joq n VAL 86 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2joq s GLN 87 N -2.51 -0.02 -0.19 7.34 0.74 -1.11 -5.05 119.66 118.85 2joq s GLN 87 Ca -0.23 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.33 2joq s GLN 87 Cb 0.08 -0.17 0.04 0.00 1.10 0.00 0.00 33.01 34.05 2joq s GLN 87 CO 0.71 -0.12 -0.13 0.95 -0.55 0.00 0.00 175.29 176.16 2joq s THR 88 N 0.75 1.75 -0.00 -0.34 -4.23 -1.26 -1.09 115.64 111.21 2joq s THR 88 Ca -0.06 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2joq s THR 88 Cb -0.09 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 2joq s THR 88 CO -0.02 0.28 0.02 -0.76 -0.54 0.00 0.00 174.62 173.60 2joq s LEU 89 N 1.37 3.60 0.22 4.79 1.02 0.09 -5.00 118.68 124.77 2joq s LEU 89 Ca 0.00 0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.26 2joq s LEU 89 Cb -0.15 -2.07 0.16 0.00 0.02 0.00 0.00 46.19 44.14 2joq s LEU 89 CO -0.09 0.28 1.49 1.23 0.02 0.00 0.00 176.35 179.28 2joq h GLY 90 N 4.27 0.07 0.00 -3.19 0.00 -1.89 -1.04 103.07 101.30 2joq h GLY 90 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2joq h GLY 90 CO 0.58 0.09 0.00 1.44 0.00 0.00 0.00 176.54 178.66